General Information of the Compound
| Compound ID |
CP0381831
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| Compound Name |
3-(4-(5-(3-cyano-4-(2,2,2-trifluoroethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C21H16F3N3O4
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| Molecular Weight |
431.37
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| Canonical SMILES |
Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(OCC(F)(F)F)c(c1)C#N
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| InChI |
InChI=1S/C21H16F3N3O4/c1-12-8-13(3-7-18(28)29)2-5-16(12)19-26-20(31-27-19)14-4-6-17(15(9-14)10-25)30-11-21(22,23)24/h2,4-6,8-9H,3,7,11H2,1H3,(H,28,29)
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| InChIKey |
OSCNJELCHLTPPM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5